CID 70472

1000-68-6

Structural Information

Molecular Formula

C₃H₉NO₃S₂

SMILES

CNCCSS(=O)(=O)O

InChI

InChI=1S/C3H9NO3S2/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)

InChIKey

FLHDCEZDRGEYQL-UHFFFAOYSA-N

Compound name

1-(methylamino)-2-sulfosulfanylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 171.00238 Da
Monoisotopic Mass: -3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	172.00966	134.8
[M+Na]+	193.99160	141.8
[M+NH4]+	189.03620	141.6
[M+K]+	209.96554	135.0
[M-H]-	169.99510	132.8
[M+Na-2H]-	191.97705	135.7
[M]+	171.00183	135.8
[M]-	171.00293	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe